6-[2-(dimethylamino)ethyl]naphthalene-2,3-diol;hydrochloride

C14H18ClNO2 — CID 20541926

IUPAC6-[2-(dimethylamino)ethyl]naphthalene-2,3-diol;hydrochloride
SMILESCN(C)CCc1ccc2cc(O)c(O)cc2c1.Cl
InChIInChI=1S/C14H17NO2.ClH/c1-15(2)6-5-10-3-4-11-8-13(16)14(17)9-12(11)7-10;/h3-4,7-9,16-17H,5-6H2,1-2H3;1H
InChIKeySUTQCEOKWRJLTB-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.78
Rot. Bonds3

About 6-[2-(dimethylamino)ethyl]naphthalene-2,3-diol;hydrochloride

6-[2-(dimethylamino)ethyl]naphthalene-2,3-diol;hydrochloride (PubChem CID 20541926) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethyl]naphthalene-2,3-diol;hydrochloride.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethyl]naphthalene-2,3-diol;hydrochloride
PubChem CID20541926
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name6-[2-(dimethylamino)ethyl]naphthalene-2,3-diol;hydrochloride
SMILESCN(C)CCc1ccc2cc(O)c(O)cc2c1.Cl
InChIInChI=1S/C14H17NO2.ClH/c1-15(2)6-5-10-3-4-11-8-13(16)14(17)9-12(11)7-10;/h3-4,7-9,16-17H,5-6H2,1-2H3;1H
InChIKeySUTQCEOKWRJLTB-UHFFFAOYSA-N
XLogP2.78
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethyl]naphthalene-2,3-diol;hydrochloride?
The IUPAC name of 6-[2-(dimethylamino)ethyl]naphthalene-2,3-diol;hydrochloride (CID 20541926) is 6-[2-(dimethylamino)ethyl]naphthalene-2,3-diol;hydrochloride.
What is the SMILES notation for 6-[2-(dimethylamino)ethyl]naphthalene-2,3-diol;hydrochloride?
The canonical SMILES for 6-[2-(dimethylamino)ethyl]naphthalene-2,3-diol;hydrochloride is CN(C)CCc1ccc2cc(O)c(O)cc2c1.Cl.
What is the InChIKey of 6-[2-(dimethylamino)ethyl]naphthalene-2,3-diol;hydrochloride?
The InChIKey is SUTQCEOKWRJLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2.ClH/c1-15(2)6-5-10-3-4-11-8-13(16)14(17)9-12(11)7-10;/h3-4,7-9,16-17H,5-6H2,1-2H3;1H.
What are the key properties of 6-[2-(dimethylamino)ethyl]naphthalene-2,3-diol;hydrochloride?
6-[2-(dimethylamino)ethyl]naphthalene-2,3-diol;hydrochloride has a molecular weight of 267.76 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethyl]naphthalene-2,3-diol;hydrochloride is sourced from PubChem (CID 20541926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).